N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline

C11H9ClF2N2S — CID 168580395

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
SMILESFC(F)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H9ClF2N2S/c12-11-16-6-9(17-11)5-15-8-3-1-7(2-4-8)10(13)14/h1-4,6,10,15H,5H2
InChIKeyRBLALSKRYZKWFM-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.35
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline (PubChem CID 168580395) has the molecular formula C11H9ClF2N2S and a molecular weight of 274.72 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
PubChem CID168580395
Molecular FormulaC11H9ClF2N2S
Molecular Weight274.72 g/mol
Exact Mass274.01
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
SMILESFC(F)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H9ClF2N2S/c12-11-16-6-9(17-11)5-15-8-3-1-7(2-4-8)10(13)14/h1-4,6,10,15H,5H2
InChIKeyRBLALSKRYZKWFM-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,2-difluoroethoxy)aniline
CID 168581259
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829
4-[4-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazin-1-yl]phenol
CID 168580131
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 168583170
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(difluoromethylsulfanyl)aniline
CID 168581415
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 75434080
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline (CID 168580395) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline is FC(F)c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline?
The InChIKey is RBLALSKRYZKWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2S/c12-11-16-6-9(17-11)5-15-8-3-1-7(2-4-8)10(13)14/h1-4,6,10,15H,5H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline has a molecular weight of 274.72 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline is sourced from PubChem (CID 168580395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).